Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.47 |
| ▸ | CYP2E1 | P05181 | 3/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.47 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | WNT1 | P04628 | 1/20 | 0.46 |
| ▸ | CLK2 | P49760 | 1/20 | 0.46 |
| ▸ | CLK3 | P49761 | 1/20 | 0.46 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | NAMPT | P43490 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.39 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.39 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL24811026 | 1.00 | CYP2A6 (0.47) | CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL24810535 | 0.86 | CYP2A6 (0.49) | CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL29817619 | 0.86 | CYP2A6 (0.49) | CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL29817570 | 0.84 | CYP2E1 (0.46) | CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL24810724 | 0.84 | CYP2A6 (0.47) | CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL29817761 | 0.84 | CYP2A6 (0.47) | CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL24810552 | 0.84 | CYP2E1 (0.46) | CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL24810738 | 0.84 | CYP2A6 (0.51) | CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL29817412 | 0.84 | CYP2A6 (0.51) | CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL24809389 | 0.83 | CYP2A6 (0.46) | CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4031531-A1 | SUBSTITUTED IMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS | Bial-R&D Investments, S.A. (PT) | 2022-07-27 | — | — | EP | disclosed |